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new cmake harness, round 3 #233

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new cmake harness, round 3 #233

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Commits on Jan 15, 2022

  1. int_am.cmake work to allow arbitrary deriv, new components format, mo… 

    …re validation. start INSTALL.md option documentation.
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  2. standardize copyright date for new files

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  3. misc. fixes

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  4. fill out options descriptions. simpler cmake if/else/endif syntax.

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  5. Boost::boost -> Boost::headers upon CMake 3.15

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  6. new inbuilt CMake Python detection upon CMake 3.15

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  7. TWOBODY -> ERI

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  8. more gha. bump cmake to 3.18

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  9. more gha fix

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  10. weird quotes gha behavior

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  11. gha after fixing features

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  12. use std::rand instead of std::random_device to seed RandomShellSet ..… 

    …. this should help with random deviations observed in eri validation
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Commits on Jan 16, 2022

  1. prefactors.cc: pacify gcc

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  2. fortran eri test must compare absolute precision, not relative, just … 

    …like tests/eri/test.cc
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  3. Merge branch 'features/new-cmake-harness' into new-cmake-harness-lab-rb1

    @evaleev
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  4. Merge branch 'features/new-cmake-harness' into new-cmake-harness-lab-rb1

    @evaleev
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Commits on Jan 17, 2022

  1. separate target export files. remove full paths from install config.

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Commits on Jan 18, 2022

  1. Merge branch 'features/new-cmake-harness' into new-cmake-harness-lab-rb1 

    # Conflicts:
#	src/lib/libint/CMakeLists.txt.export
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  2. int_am.cmake work to allow arbitrary deriv, new components format, mo… 

    …re validation. start INSTALL.md option documentation.
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  3. standardize copyright date for new files

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  4. misc. fixes

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  5. fill out options descriptions. simpler cmake if/else/endif syntax.

    @loriab
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  6. Boost::boost -> Boost::headers upon CMake 3.15

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  7. new inbuilt CMake Python detection upon CMake 3.15

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  8. TWOBODY -> ERI

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  9. more gha. bump cmake to 3.18

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  10. more gha fix

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  11. weird quotes gha behavior

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  12. gha after fixing features

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  13. use std::rand instead of std::random_device to seed RandomShellSet ..… 

    …. this should help with random deviations observed in eri validation
    @evaleev @loriab
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  14. prefactors.cc: pacify gcc

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  15. fortran eri test must compare absolute precision, not relative, just … 

    …like tests/eri/test.cc
    @evaleev @loriab
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  16. separate target export files. remove full paths from install config.

    @loriab
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  17. move eigen detection to config

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  18. fix up after rebase

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Commits on Jan 19, 2022

  1. organize lib defs, NS->L2, back to 3 char ordering component in Config

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  2. Merge branch 'new-cmake-harness-lab-rb1' of github.com:loriab/libint … 

    …into new-cmake-harness-lab-rb1

� Conflicts:
�	INSTALL.md
�	cmake/libint2-config.cmake.in
�	src/lib/libint/CMakeLists.txt.export
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  3. target documentation

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Commits on Jan 20, 2022

  1. hide libtool files

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  2. reconsolidate version storage, computing, and transfer. get basis set… 

    …s installed in versioned folder again.
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  3. 2.7.1 -> 2.7.0 btwn configure.ac -> CMakeLists.txt

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Commits on Jan 21, 2022

  1. fix datadir

    @loriab
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  2. one more fix

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  3. allow and document non-standard install locations

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  4. paths take 2

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  5. Merge branch 'new-cmake-harness-lab-rb1' of github.com:loriab/libint … 

    …into new-cmake-harness-lab-rb1
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  6. fixup

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  7. reconcile line numbers

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  8. help pkgconfig file paths

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Commits on Jan 22, 2022

  1. work on aliases

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Commits on Jan 24, 2022

  1. test BUILD_TESTING. simplify for newer cmake version

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Commits on Jan 25, 2022

  1. onebody and pure_sh components for psi

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  2. cmake for doxygen. standardize some spacing

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  3. add install component to library installs

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  4. tidy config file. more docs.

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Commits on Jan 28, 2022

  1. start sorting out gmp and mpfr

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  2. more dependencies

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  3. don't disable system gmp

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Commits on Jan 29, 2022

  1. Update INSTALL.md

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  2. help fortran maybe

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  3. incomplete eigen edits

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  4. fix eigen

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  5. Update INSTALL.md

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  6. Update INSTALL.md

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Commits on Jan 31, 2022

  1. misc tidying, tentative fort install

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  5. ci 54

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  6. ci 55

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  7. ci 56

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  8. ci 57

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  9. ci 58

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  10. ci 59

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Commits on Feb 7, 2022

  1. correct desparate edits

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  2. bump version even with master

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Commits on Feb 8, 2022

  1. add t1g12 option

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  2. enable g12

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  3. ci 60

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  4. ci 61

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  5. ci 62

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  6. ci 63

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Commits on Feb 9, 2022

  1. ci 64

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  2. ci 65

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  3. ci 66

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  4. ci 67

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  5. ci 68

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  6. ci 69

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  7. ci 70

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  8. ci 71

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  9. ci 72

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  11. ci 74

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  14. ci 77

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  15. ci 78

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  16. ci 79

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  17. ci 80

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  18. ci 81

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  19. ci 82

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  20. ci 83

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  21. ci 84

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  22. ci 85

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  23. ci 86

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  24. ci 87

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  25. ci 88

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  26. ci 89

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  27. ci 90

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Commits on Feb 10, 2022

  1. ci 91

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  2. ci 92

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Commits on Feb 11, 2022

  1. ci 93

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  2. ci 94

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  3. rename targets, consolidate exports, remove windows no cmpld cxx

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  4. ci 95

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  5. ci 96

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  6. ci 97

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  7. ci 98

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  8. ci 99

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  9. ci 100

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  10. cmake back to 3.16

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Commits on Feb 12, 2022

  1. allow handing eigen3 btwn l2 library build and consumer build

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  2. ci 101

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  3. ci 102 xfail

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  4. ci 103 xfail

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  5. ci 104 xfail

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  6. ci 105

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  7. ci 106

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Commits on Feb 13, 2022

  1. cleanup

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Commits on Feb 14, 2022

  1. Update INSTALL.md

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Commits on Feb 15, 2022

  1. work on install

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  2. docs

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Commits on Feb 16, 2022

  1. more docs, xhost, libint2_realtype

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  2. more docs

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Commits on Feb 17, 2022

  1. more docs and eigen

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    loriab committed Feb 17, 2022
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  2. typo

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    evaleev committed Feb 17, 2022
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  3. docs edits

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