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science/py-geometric: update 1.0 → 1.1

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Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2025-01-24 23:27:12 -08:00
parent ad3cb804d9
commit d736f61a46
2 changed files with 10 additions and 7 deletions
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11
science/py-geometric/Makefile
View file

@ -1,24 +1,27 @@
PORTNAME= geometric
DISTVERSION= 1.0
PORTREVISION= 1
DISTVERSION= 1.1
CATEGORIES= science python # chemistry
MASTER_SITES= PYPI
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Geometry optimization for quantum chemistry
WWW= https://github.com/leeping/geomeTRIC
WWW= https://geometric.readthedocs.io/en/latest/ \
https://github.com/leeping/geomeTRIC
LICENSE= BSD3CLAUSE
RUN_DEPENDS= ${PYNUMPY} \
${PYTHON_PKGNAMEPREFIX}networkx>0:math/py-networkx@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${PY_FLAVOR}
TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR}
USES= python
USES= python shebangfix
USE_PYTHON= distutils concurrent autoplist pytest # some tests fail because of missing large test files
SHEBANG_GLOB= *.py
NO_ARCH= yes
.include <bsd.port.mk>

6
science/py-geometric/distinfo
View file

@ -1,3 +1,3 @@
TIMESTAMP = 1667893873
SHA256 (geometric-1.0.tar.gz) = 905f4f1a23f72c80788974e57cf9fcc08730c1d4ce994f1114745c3ebcfd4cce
SIZE (geometric-1.0.tar.gz) = 347922
TIMESTAMP = 1737789635
SHA256 (geometric-1.1.tar.gz) = ed7bd2ed67a2f15d442ccc6ce628fdfe682bc3f11ee0566d2edde4830877ed2b
SIZE (geometric-1.1.tar.gz) = 386046