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@@ -5,8 +5,7 @@ PortGroup mpi 1.0 |
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PortGroup linear_algebra 1.0 |
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name abinit |
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version 8.8.3 |
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revision 1 |
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version 8.10.2 |
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categories science |
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platforms darwin |
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license GPL-3 |
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@@ -32,9 +31,10 @@ long_description ABINIT is a package whose main program allows one to find th |
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homepage https://www.abinit.org |
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master_sites ${homepage}/sites/default/files/packages |
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checksums rmd160 575f25a1853a6974caff1422747130a2323003a3 \ |
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sha256 cceb397d1c8b81dc616e65bfb2986a8a1764e59be98e3c887b0392dfba0d4652 \ |
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size 82567680 |
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checksums rmd160 b47a865dc6a321ea5b66e4df4173f2ce93dacbe1 \ |
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sha256 4ee2e0329497bf16a9b2719fe0536cc50c5d5a07c65e18edaf15ba02251cbb73 \ |
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size 88370836 |
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compilers.choose cc cxx fc |
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# g95 is no longer supported by abinit |
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@@ -117,13 +117,8 @@ test.cmd tests/runtests.py |
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test.target built-in fast tutorespfn tutorial unitary |
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#test.target built-in fast tutorespfn tutorial unitary v1 v2 v3 v4 v5 v6 v67mbpt v7 |
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# for +scalapack +atlas -libxc: |
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# hang in test [v2][t79]. |
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# :info:test [tutorial][tspin_6][np=1]: failed: absolute error 2.7e-08 > 2.5e-08 |
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# other config options to add: |
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# --enable-mpi-inplace |
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# --with-atompaw-libs; --with-atompaw-incs |
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pre-test { |
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if {[mpi_variant_isset]} { |
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@@ -173,7 +168,7 @@ variant netcdf description {Build with support for NetCDF transferable I/O} { |
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# add support for gsl, yaml? |
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variant libxc description {Build with support for libXC exchange-correlation library} { |
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# configure explicitly forbids libxc > 4.0.0 for some reason |
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# configure says Fortran support doesn't work for libxc > 4.0.0 for some reason |
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depends_lib-append port:libxc |
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compilers.enforce_fortran libxc |
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configure.args-append --with-libxc-incs="-I${prefix}/include" |
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@@ -189,14 +184,14 @@ variant scalapack description {Build with ScaLAPACK for parallel linear algebra} |
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return -code error "+scalapack requires an MPI variant." |
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} |
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mpi.setup require |
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mpi.enforce_variant scalapack |
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} |
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variant wannier90 description {Build with support for Wannier90} { |
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depends_lib-append port:wannier90 |
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test.target-append wannier90 tutoplugs vdwxc |
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} |
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# tests fail: [wannier90][t00][np=1]: fldiff.pl fatal error |
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# FIXME: the code's build system will download BigDFT itself, which is contrary to the |
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# way MacPorts should work. Make a bigdft port to support this. |
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@@ -212,6 +207,9 @@ variant wannier90 description {Build with support for Wannier90} { |
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# FIXME: same problem as for BigDFT, it gets downloaded. Make a separate port. |
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#variant atompaw description {Build including AtomPAW atomic dataset generator} { |
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# depends_lib-append port:atompaw |
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# configure.args-append --enable-atompaw --with-atompaw-bins=${prefix} --with-atompaw-incs=-I${prefix} --with-atompaw-libs=-L${prefix} |
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# test.target-append atompaw |
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#} |
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livecheck.type regex |
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