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science/psi4: Update 1.8 → 1.8.1
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Reported by:	portscout
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yurivict committed Jul 14, 2023
1 parent a4a9f75 commit 095e739
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Showing 2 changed files with 5 additions and 27 deletions.
26 changes: 2 additions & 24 deletions science/psi4/Makefile
@@ -1,6 +1,6 @@
PORTNAME= psi4
DISTVERSIONPREFIX= v
DISTVERSION= 1.8
DISTVERSION= 1.8.1
CATEGORIES= science # quantum-chemistry
EXTRACT_ONLY= ${DISTNAME}${EXTRACT_SUFX}

Expand Down Expand Up @@ -72,29 +72,7 @@ do-install: # project fails to install itself into a stage directory due to a co

# psi4 sometimes fails to print its version: https://github.com/psi4/psi4/issues/2831

do-test: # tests are generally broken, but virtually all individual tests pass separately
# based on https://psicode.org/psi4manual/master/build_planning.html#faq-minutetests
#@cd ${WRKSRC}/tests && ${SETENV} ${TEST_ENV} pytest # pytest-based tests fail, see https://github.com/psi4/psi4/issues/2802 https://github.com/psi4/psi4/issues/2830

# samples as tests, this also fails down the line: https://github.com/psi4/psi4/issues/2803
#@cd ${WRKSRC} && ( \
# for f in $$(${FIND} samples/cc24 -name test.in | ${XARGS} dirname); do \
# echo "===> runing test in $$f"; \
# (cd $$f && ${SETENV} ${TEST_ENV} ${STAGEDIR}${PREFIX}/bin/psi4 test.in) \
# done \
#)

# api tests
do-test:
@cd ${WRKSRC}/tests/pytests && ${SETENV} ${TEST_ENV} pytest

# cli tests
#@cd ${WRKSRC}/tests && ( \
# for f in $$(${FIND} . -name input.dat | ${XARGS} dirname); do \
# echo "===> runing input.dat $$f"; \
# (cd $$f && ${SETENV} ${TEST_ENV} ${STAGEDIR}${PREFIX}/bin/psi4 input.dat) \
# done \
#)

# QCEngine fails while running some psi4 tests: https://github.com/MolSSI/QCEngine/issues/404

.include <bsd.port.mk>
6 changes: 3 additions & 3 deletions science/psi4/distinfo
@@ -1,3 +1,3 @@
TIMESTAMP = 1684424227
SHA256 (psi4-psi4-v1.8_GH0.tar.gz) = 0e7a9ff4a93b2f405c4f82817fbbb6e55f3451cd16faa00ac2f773c50e4108cc
SIZE (psi4-psi4-v1.8_GH0.tar.gz) = 45064462
TIMESTAMP = 1689307382
SHA256 (psi4-psi4-v1.8.1_GH0.tar.gz) = f1431a68fd67ae8c31fdb3a8c135061d148246b9687c80decdc1b7ad917fe80b
SIZE (psi4-psi4-v1.8.1_GH0.tar.gz) = 45068690

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